[gmx-users] RB and pair types.
J Simms
JXS818 at bham.ac.uk
Fri Jan 3 08:40:09 CET 2003
Hi all,
Just a quicky to make sure I am this right ;-). To use RB function
with the ffG43a2x, I add a dihedral type to the ffG43abon.itp section
and comment out/delete the LCH2-LCH2 section of the [PAIR
TYPES] in the ffG43a2xnb.itp. Do I need to do the same thing with
the LCH2-LCH3 bit aswell??
As always any help with be gratefully accepted.
John ;-)
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